[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate

C20H23FN4O4 — CID 11292559

About [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate (PubChem CID 11292559) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate.

Molecular Properties

• Compound Name: [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
• PubChem CID: 11292559
• Molecular Formula: C20H23FN4O4
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.17
• IUPAC Name: [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
• SMILES: O=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1
• InChI: InChI=1S/C20H23FN4O4/c21-15-5-2-1-4-12(15)11-22-20(27)29-14-8-13(9-14)16-10-18(25-24-16)23-19(26)17-6-3-7-28-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,22,27)(H2,23,24,25,26)/t13?,14?,17-/m1/s1
• InChIKey: OCAQSLLJAPKZHQ-MQBCKMQZSA-N
• XLogP: 2.84
• TPSA: 105.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?

The IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate (CID 11292559) is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate.

What is the SMILES notation for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?

The canonical SMILES for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate is O=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1.

What is the InChIKey of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?

The InChIKey is OCAQSLLJAPKZHQ-MQBCKMQZSA-N. The full InChI is InChI=1S/C20H23FN4O4/c21-15-5-2-1-4-12(15)11-22-20(27)29-14-8-13(9-14)16-10-18(25-24-16)23-19(26)17-6-3-7-28-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,22,27)(H2,23,24,25,26)/t13?,14?,17-/m1/s1.

What are the key properties of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate has a molecular weight of 402.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 11292559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).